Crystallography Open Database

Information card for entry 7053810

Preview

Coordinates	7053810.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H51 Cl2 Cr N2 O4 P2
Calculated formula	C47 H51 Cl2 Cr N2 O4 P2
SMILES	Cl[Cr]123(Cl)[O](c4c([N]2=P(C=P(N3c2c([O]1C)cccc2)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)cccc4)C.O1CCCC1.O1CCCC1
Title of publication	Chromium (iii)-bis(iminophosphoranyl)methanido complexes: synthesis, X-ray crystal structures and catalytic ethylene oligomerization
Authors of publication	Klemps, Christian; Buchard, Antoine; Houdard, Romaric; Auffrant, Audrey; Mézailles, Nicolas; Le Goff, Xavier Frédéric; Ricard, Louis; Saussine, Lucien; Magna, Lionel; Le Floch, Pascal
Journal of publication	New Journal of Chemistry
Year of publication	2009
Journal volume	33
Journal issue	8
Pages of publication	1748
a	9.412 ± 0.001 Å
b	13.128 ± 0.001 Å
c	18.731 ± 0.001 Å
α	72.651 ± 0.001°
β	83.444 ± 0.001°
γ	80.124 ± 0.001°
Cell volume	2171.5 ± 0.3 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1129
Residual factor for significantly intense reflections	0.0733
Weighted residual factors for significantly intense reflections	0.2047
Weighted residual factors for all reflections included in the refinement	0.2261
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180092 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/38.	7053810.cif
96641	2014-01-29	cif/ Adding structures of 7053808, 7053809, 7053810 via cif-deposit CGI script.	7053810.cif